[20-Amino-15-[3-[(2-amino-1,3-diazaspiro[5.5]undec-2-en-4-yl)methoxy]-4,4,5-trihydroxy-6-methyloxan-2-yl]oxy-14-[(9-formyl-9b-hydroxy-1,2,3,3a,4,5-hexahydrocyclopenta[a]naphthalen-8-yl)methyl]-13,23-dihydroxy-7-(hydroxymethyl)-10,30-dioxo-5-pentacyclo[23.3.1.18,12.04,9.011,16]triaconta-1(28),2,4,6,8,11(16),12,14,25(29),26-decaen-18-ynyl] acetate

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: [20-Amino-15-[3-[(2-amino-1,3-diazaspiro[5.5]undec-2-en-4-yl)methoxy]-4,4,5-trihydroxy-6-methyloxan-2-yl]oxy-14-[(9-formyl-9b-hydroxy-1,2,3,3a,4,5-hexahydrocyclopenta[a]naphthalen-8-yl)methyl]-13,23-dihydroxy-7-(hydroxymethyl)-10,30-dioxo-5-pentacyclo[23.3.1.18,12.04,9.011,16]triaconta-1(28),2,4,6,8,11(16),12,14,25(29),26-decaen-18-ynyl] acetate
• 英文别名: [20-amino-15-[3-[(2-amino-1,3-diazaspiro[5.5]undec-2-en-4-yl)methoxy]-4,4,5-trihydroxy-6-methyloxan-2-yl]oxy-14-[(9-formyl-9b-hydroxy-1,2,3,3a,4,5-hexahydrocyclopenta[a]naphthalen-8-yl)methyl]-13,23-dihydroxy-7-(hydroxymethyl)-10,30-dioxo-5-pentacyclo[23.3.1.18,12.04,9.011,16]triaconta-1(28),2,4,6,8,11(16),12,14,25(29),26-decaen-18-ynyl] acetate
• 化学式: C₆₄H₇₂N₄O₁₅
• 分子量: 1137.3
• InChiKey: WQABIADGDJFMJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  83
• 可旋转键数：
  11
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  323
• 氢给体数：
  10
• 氢受体数：
  17